1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone

C27H33N3O3 — CID 110151376

IUPAC1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone
SMILESCC(=O)N1CCN(C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)CC1c1ccccc1
InChIInChI=1S/C27H33N3O3/c1-21(31)30-18-17-29(20-24(30)23-11-7-4-8-12-23)26(33)27(2)13-15-28(16-14-27)25(32)19-22-9-5-3-6-10-22/h3-12,24H,13-20H2,1-2H3
InChIKeyLILINYMVVFVVDZ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.29
Rot. Bonds4

About 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone

1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone (PubChem CID 110151376) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone
PubChem CID110151376
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone
SMILESCC(=O)N1CCN(C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)CC1c1ccccc1
InChIInChI=1S/C27H33N3O3/c1-21(31)30-18-17-29(20-24(30)23-11-7-4-8-12-23)26(33)27(2)13-15-28(16-14-27)25(32)19-22-9-5-3-6-10-22/h3-12,24H,13-20H2,1-2H3
InChIKeyLILINYMVVFVVDZ-UHFFFAOYSA-N
XLogP3.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124964959
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 125004464
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 125002392
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769
3-[1-acetyl-4-(4-benzyloxane-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 110151965
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone (CID 110151376) is 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone is CC(=O)N1CCN(C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)CC1c1ccccc1.
What is the InChIKey of 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone?
The InChIKey is LILINYMVVFVVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-21(31)30-18-17-29(20-24(30)23-11-7-4-8-12-23)26(33)27(2)13-15-28(16-14-27)25(32)19-22-9-5-3-6-10-22/h3-12,24H,13-20H2,1-2H3.
What are the key properties of 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone?
1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone has a molecular weight of 447.58 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-3-phenylpiperazine-1-carbonyl)-4-methylpiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110151376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).